7-chloro-3-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one

C14H8ClF3N2O — CID 117206797

IUPAC7-chloro-3-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2c(Cl)cccc2n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H8ClF3N2O/c15-10-5-2-6-11-12(10)19-13(21)20(11)9-4-1-3-8(7-9)14(16,17)18/h1-7H,(H,19,21)
InChIKeyCYHQVOCBOUMGGZ-UHFFFAOYSA-N
MW312.68 g/mol
LogP3.99
Rot. Bonds1

About 7-chloro-3-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one

7-chloro-3-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one (PubChem CID 117206797) has the molecular formula C14H8ClF3N2O and a molecular weight of 312.68 g/mol. Its IUPAC name is 7-chloro-3-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name7-chloro-3-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one
PubChem CID117206797
Molecular FormulaC14H8ClF3N2O
Molecular Weight312.68 g/mol
Exact Mass312.03
IUPAC Name7-chloro-3-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2c(Cl)cccc2n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H8ClF3N2O/c15-10-5-2-6-11-12(10)19-13(21)20(11)9-4-1-3-8(7-9)14(16,17)18/h1-7H,(H,19,21)
InChIKeyCYHQVOCBOUMGGZ-UHFFFAOYSA-N
XLogP3.99
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.68
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one?
The IUPAC name of 7-chloro-3-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one (CID 117206797) is 7-chloro-3-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 7-chloro-3-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one?
The canonical SMILES for 7-chloro-3-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one is O=c1[nH]c2c(Cl)cccc2n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 7-chloro-3-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one?
The InChIKey is CYHQVOCBOUMGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2O/c15-10-5-2-6-11-12(10)19-13(21)20(11)9-4-1-3-8(7-9)14(16,17)18/h1-7H,(H,19,21).
What are the key properties of 7-chloro-3-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one?
7-chloro-3-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one has a molecular weight of 312.68 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 117206797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).